1-아미노-3-아다만탄카르복실산염산염

3-Aminoadamantane-1-carboxylic acid hydrochloride

HCID 365220

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 6240-01-3
표준 SMILES: Cl.NC12CC3CC(C1)CC(C(=O)O)(C3)C2
InChIKey: CMUAQGBJDDHTPE-GVRPCFNPNA-N
분자식: C11H18ClNO2
평균 분자량: 231.72 g/mol

이름 및 식별자

우선 이름: 3-Aminoadamantane-1-carboxylic acid hydrochloride
IUPAC: 3-aminoadamantane-1-carboxylic acid;hydrochloride
현지명: 1-아미노-3-아다만탄카르복실산염산염
영어명: 1-Amino-3-adamantanecarboxylic acid hydrochloride
분자식: C11H17NO2.ClH
분자량: 231.72

이름 및 동의어

3-aminoadamantane-1-carboxylic acid hydrochloride6240-01-3RefChem:497694830-824-33-Amino-1-adamantanecarboxylic acid hydrochlorideMFCD018258273-aminoadamantane-1-carboxylic acid;hydrochloride1-Amino-3-adamantanecarboxylic acid hydrochloride3-Amino-adamantane-1-carboxylic acid hydrochlorideSCHEMBL1578444NSC632545SR-01000400497

이름 더 보기

1-아미노-3-아다만탄카르복실산염산염IFLAB-BB F0035-02503-Amino-adamantane-1-carboxylic acid HCl3-AMino-1-CarboxyadaMantane Hydrochloride3-Amino-1-adamantanecarboxylate hydrochloride3-Amino-adamantane-1-carboxylic hydrochloride3-Aminoadamantane-1-carboxylic acid hydrochloride,95%3-Aminotricyclo[3.3.1.13,7]decane-1-carboxylic acid hydrochloride

SR-01000400497-13-Aminoadamantane-1-carboxylic acid-4-ethylbenzenesulfonic acid (1:1)(1r,3s,5R,7S)-3-aminoadamantane-1-carboxylic acid hydrochlorideF0035-02503-Aminoadamantane-1-carboxylic Acid HClCMUAQGBJDDHTricyclo[3.3.1.13,7]decane-1-carboxylic acid, 3-amino-, hydrochloride3-Aminoadamantane-1-carboxylicAcidHydrochloride

데이터베이스 식별자

CAS: 6240-01-3
PubChem CID: 365220
ChEMBL: CHEMBL1973109
EC Number: 830-824-3

물성

구조 계산 물성

극성 표면적: 63.3 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 15
형식 전하: 0
복잡도: 286

물리화학적 성질

녹는점: 300 ℃ · >300℃ (DEC.)
저장 조건: Inert atmosphere,Room Temperature
InChI: InChI=1/C11H17NO2.ClH/c12-11-4-7-1-8(5-11)3-10(2-7,6-11)9(13)14;/h7-8H,1-6,12H2,(H,13,14);1H/t7-,8+,10+,11-;
InChIKey: CMUAQGBJDDHTPE-GVRPCFNPNA-N
SMILES: [C@]12(C(=O)O)C[C@@]3([H])C[C@]([H])(C[C@](N)(C3)C1)C2.Cl |&1:0,5,8,11,r|

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.